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Results for “electron relaxation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

X-ray transient absorption reveals the 1Au (nπ*) state of pyrazine in electronic relaxation

Abstract Electronic relaxation in organic chromophores often proceeds via states not directly accessible by photoexcitation. We report on the photoinduced dynamics of pyrazine that involves such states, excited by a 267 nm laser and probed with X-ray transient absorption spectroscopy in a table-top setup. In addition to the previously characterized 1 B 2u (ππ*) (S 2 ) and 1 B 3u (nπ*) (S 1 ) states, the participation of the optically dark 1 A u (nπ*) state is assigned by a combination of experimental X-ray core-to-valence spectroscopy, electronic structure calculations, nonadiabatic dynamics simulations, and X-ray spectral computations. Despite 1 A u (nπ*) and 1 B 3u (nπ*) states having similar energies at relaxed geometry, their X-ray absorption spectra differ largely in transition energy and oscillator strength. The 1 A u (nπ*) state is populated in 200 ± 50 femtoseconds after electronic excitation and plays a key role in the relaxation of pyrazine to the ground state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane

Abstract The light-induced ultrafast switching between molecular isomers norbornadiene and quadricyclane can reversibly store and release a substantial amount of chemical energy. Prior work observed signatures of ultrafast molecular dynamics in both isomers upon ultraviolet excitation but could not follow the electronic relaxation all the way back to the ground state experimentally. Here we study the electronic relaxation of quadricyclane after exciting in the ultraviolet (201 nanometres) using time-resolved gas-phase extreme ultraviolet photoelectron spectroscopy combined with non-adiabatic molecular dynamics simulations. We identify two competing pathways by which electronically excited quadricyclane molecules relax to the electronic ground state. The fast pathway (<100 femtoseconds) is distinguished by effective coupling to valence electronic states, while the slow pathway involves initial motions across Rydberg states and takes several hundred femtoseconds. Both pathways facilitate interconversion between the two isomers, albeit on different timescales, and we predict that the branching ratio of norbornadiene/quadricyclane products immediately after returning to the electronic ground state is approximately 3:2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Electronic relaxation dynamics in [Au 25 (SR) 18 ] -1 (R = CH 3 , C 2 H 5 , C 3 H 7 , MPA, PET) thiolate-protected nanoclusters

Here we investigate the excited electron dynamics in [Au 25 (SR) 18 ] -1 (R = CH3, C 2 H 5 , C 3 H 7 , MPA, PET) [MPA = mercaptopropanoic acid, PET = phenylethylthiol] nanoparticles to understand how different ligands affect the excited state dynamics in this system. The population dynamics of the core and higher excited states lying in the energy range 0.00–2.20 eV are studied using a surface hopping method with decoherence correction in a real-time DFT approach. All of the ligated clusters follow a similar trend in decay for the core states (S 1 –S 6 ). The observed time constants are on the picosecond time scale (2–19 ps), which agrees with the experimental time scale, and this study confirms that the time constants observed experimentally could originate from core-to-core transitions and not from core-to-semiring transitions. In the presence of higher excited states, R = H, CH 3 , C 2 H 5 , C 3 H 7 , and PET demonstrate similar relaxations trends whereas R = MPA shows slightly different relaxation of the core states due to a smaller gap between the LUMO+1 and LUMO+2 gap in its electronic structure. The S 1 (HOMO → LUMO) state gives the slowest decay in all ligated clusters, while S 7 has a relatively long decay. Furthermore, separate electron and hole relaxations were performed on the [Au 25 (SCH 3 ) 18 ] -1 nanocluster to understand how independent electron and hole relaxations contribute to the overall relaxation dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

Electron-phonon relaxation in hot-electron detectors below 1 K

Recently proposed submillimeter hot-electron direct detecors based on normal metals and superconductors rely on the thermal coupling between electrons and phonons. The sensitivity of the detectors can be greatly enhanced if the coupling is made very weak at subkelvin temperatures.

hot-electron↗
NASA NTRS1973

Theoretical models for electron energy relaxation in the lower ionosphere

Elastic collisions and rotation inelastic collisions involving quadrupole molecular transitions are important in energy relaxation of electrons in molecular gases. It has been customary in studying the cooling of electrons in a plasma heated by high-frequency waves to characterize this relaxation by the ionospheric G factor. The G factor is first defined in a fundamental way by use of kinetic theory. Then present models for theoretical cross sections for electron collision with O2 and N2 are used to derive expressions for the G factor in the lower ionosphere. Two models are considered: one uses Gerjuoy-Stein models for both N2 and O2; the other uses a Gerjuoy-Stein model for N2 and a Geltman-Takayanaki model for O2. Neither O2 model has been definitely established experimentally. It is found that temperature dependence of G is critically dependent on the O2 model.

Hagenbuch, K. M.↗
DOE OSTI2025

A Spectrochemical Series for Electron Spin Relaxation

Controlling the rate of electron spin relaxation in paramagnetic molecules is essential for contemporary applications in molecular magnetism and quantum information science. However, the physical mechanisms of spin relaxation remain incompletely understood, and new spectroscopic observables play an important role in evaluating spin dynamics mechanisms and structure–property relationships. Here, we use cryogenic magnetic circular dichroism (MCD) spectroscopy and pulse electron paramagnetic resonance (EPR) in tandem to examine the impact of ligand field (d–d) excited states on spin relaxation rates. We employ a broad scope of square-planar Cu(II) compounds with varying ligand field strength, including CuS 4 , CuN 4 , CuN 2 O 2 , and CuO 4 first coordination spheres. An unexpectedly strong correlation exists between spin relaxation rates and the average d–d excitation energy (R 2 = 0.97). The relaxation rate trends as the inverse 11th power of the excited-state energies, whereas simplified theoretical models predict only an inverse second power dependence. These experimental results directly implicate ligand field excited states as playing a critical role in the ground-state spin relaxation mechanism. Furthermore, ligand field strength is revealed to be a particularly powerful design principle for spin dynamics, enabling formation of a spectrochemical series for spin relaxation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Slow electron-phonon relaxation controls the dynamics of the superconducting resistive transition

Here, we investigate the temporal and spatial scales of resistance fluctuations (𝑅 fluctuations) at the superconducting resistive transition accessed through voltage fluctuation measurements in thin epitaxial TiN films. This material is characterized by slow electron-phonon relaxation, which puts it far beyond the applicability range of the textbook scenario of superconducting fluctuations. The measured Lorentzian spectrum of the 𝑅 fluctuations identifies their correlation time, which is nearly constant across the transition region and has no relation to the conventional Ginzburg-Landau timescale. Instead, the correlation time coincides with the energy relaxation time determined by a combination of the electron-phonon relaxation and the relaxation via diffusion into reservoirs. Our data are quantitatively consistent with the model of spontaneous temperature fluctuations and highlight the lack of understanding of the resistive transition in materials with slow electron-phonon relaxation.

critical phenomena↗
NASA NTRS1982

The injection of energy into the Io plasma torus

Voyager EUV observations of the Io plasma torus indicate the presence of an intensity modulation in the corotating reference frame of significant magnitude on a 10-hour time scale. The phenomenon has a persistence which suggests it is a permanent feature, and the magnitude is such that a substantial amount of energy is injected into the torus at a 10-hour periodic rate. An investigation is conducted regarding the nature of the energy enjection process as determined by the plasma parameters and the observed characteristics. Attention is given to excitation-relaxation relations, aspects of ion-electron relaxation, and electron-electron relaxation and energy transfer rates. The radial distribution of temperature at the eastern and western elongations is found to indicate that the energy input to the electrons is distributed over the width of the torus. The dominant mechanism of energy transport to the plasma appears to be electron-electron heating.

Shemansky, D. E.↗
NASA NTRS1991

Nonlinear wave scattering and electron beam relaxation

The role played by nonlinear scattering during the relaxation of a warm electron beam is investigated through a numerical code based on kinetic equations. The code encompasses the quasi-linear wave-electron interaction and wave-wave scattering off ion clouds. Ions with velocities 2 nu sub i (nu sub i being the ion thermal velocity) are found to be the most efficient for scattering the Langmuir waves off their polarization clouds. The transfer rate of the spectrum out of resonance with the beam is larger by a factor 3 compared to usual estimates. The changes produced in the dispersion relation by the presence of the beam electrons dramatically alter the characteristics of the secondary spectrum. In a late phase the classic condensate K of about 0 is depleted, with the formation of a new condensate in resonance with the flat-topped beam distribution, which follows from the fact that the mere presence of the beam electrons creates a minimum in the frequency-wave-number relation. For strong and slow beams, the predictions of the code are found to be in excellent agreement with the results of the particle simulation if a dispersion relation that includes the beam is used.

Muschietti, L.↗
DOE OSTI2021

Electron Spin Relaxation Induced by a Cantilever when the Spin Frequency Matches the Cantilever Frequency

We study the electron spin relaxation induced by a high frequency nanomechanical cantilever with an attached ferromagnetic particle in a situation when the spin Larmor frequency matches the cantilever frequency. We consider a situation when the spin-cantilever system is described by the Jaynes-Cumming model. We have obtained an analytical solution describing the spin relaxation caused by the spin-cantilever interaction. Based on these results, we suggest a “spin thermometer” which could measure the temperature of nanomechanical cantilevers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1974

Electron-ion relaxation in a dense plasma

The microscopic physics of the thermonuclear runaway in highly degenerate carbon-oxygen cores is investigated to determine if and how a detonation wave is generated. An expression for the electron-ion relaxation time is derived under the assumption of large degeneracy and extreme relativity of the electrons in a two-temperature plasma. Since the nuclear burning time proves to be several orders of magnitude shorter than the relaxation time, it is concluded that in studying the structure of the detonation wave the electrons and ions must be treated as separate fluids.

Littleton, J. E.↗